5A0A
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![BU of 5a0a by Molmil](/molmil-images/mine/5a0a) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5Z1C
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![BU of 5z1c by Molmil](/molmil-images/mine/5z1c) | The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | Descriptor: | 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator | Authors: | Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. | Deposit date: | 2017-12-25 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
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6A8O
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![BU of 6a8o by Molmil](/molmil-images/mine/6a8o) | Crystal structures of the serine protease domain of murine plasma kallikrein with peptide inhibitor mupain-1-16 | Descriptor: | Plasma kallikrein, alpha-D-mannopyranose, peptide inhibitor,, ... | Authors: | Xu, M, Jiang, L, Huang, M. | Deposit date: | 2018-07-09 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Crystal structure of plasma kallikrein reveals the unusual flexibility of the S1 pocket triggered by Glu217. Febs Lett., 592, 2018
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6AG9
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![BU of 6ag9 by Molmil](/molmil-images/mine/6ag9) | Crystal structure of uPA in complex with 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2- carboxamide | Descriptor: | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Buckley, B, Jiang, L.G, Majed, H, Huang, M.D, Kelso, M, Ranson, M. | Deposit date: | 2018-08-09 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | uPA-HMA To Be Published
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6AG2
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![BU of 6ag2 by Molmil](/molmil-images/mine/6ag2) | uPA-HMA | Descriptor: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | Deposit date: | 2018-08-09 | Release date: | 2019-09-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | uPA-HMA To Be Published
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6AHS
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![BU of 6ahs by Molmil](/molmil-images/mine/6ahs) | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | Descriptor: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Sugawara, H. | Deposit date: | 2018-08-20 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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1M2I
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![BU of 1m2i by Molmil](/molmil-images/mine/1m2i) | Crystal structure of E44A/E56A mutant of cytochrome b5 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome b5 | Authors: | Wu, J, Wang, Y.-H, Gan, J.-H, Wang, W.-H, Sun, B.-Y, Huang, Z.-X, Xia, Z.-X. | Deposit date: | 2002-06-24 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Cytochrome b5 Mutated at the Charged Surface-Residues and Their Interactions with Cytochrome c Chin.J.Chem., 20, 2002
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5A8Z
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![BU of 5a8z by Molmil](/molmil-images/mine/5a8z) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
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3ZP3
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![BU of 3zp3 by Molmil](/molmil-images/mine/3zp3) | INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid, ... | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZNL
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![BU of 3znl by Molmil](/molmil-images/mine/3znl) | H5 Haemagglutinin in Complex with 6-O-Sulfo-Sialyl-Lewis X (Sulfated Lewis X) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HAEMAGGLUTININ, ... | Authors: | Xiong, X, Tuzikov, A, Coombs, P, Martin, S.R, Walker, P.A, Gamblin, S.J, Bovin, N, Skehel, J.J. | Deposit date: | 2013-02-15 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Recognition of Sulphated and Fucosylated Receptor Sialosides by A/Vietnam/1194/2004 (H5N1) Influenza Virus. Virus Res., 178, 2013
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3ZP1
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![BU of 3zp1 by Molmil](/molmil-images/mine/3zp1) | INFLUENZA VIRUS (VN1194) H5 HA with LSTc | Descriptor: | HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-2)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZP2
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![BU of 3zp2 by Molmil](/molmil-images/mine/3zp2) | INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZP6
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![BU of 3zp6 by Molmil](/molmil-images/mine/3zp6) | INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZNK
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![BU of 3znk by Molmil](/molmil-images/mine/3znk) | H5 Haemagglutinin in Complex with 6-O-Sulfo-2,3-Sialyllactosamine (Sulfated 3'SLN) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HAEMAGGLUTININ, ... | Authors: | Xiong, X, Tuzikov, A, Coombs, P, Martin, S.R, Walker, P.A, Gamblin, S.J, Bovin, N, Skehel, J.J. | Deposit date: | 2013-02-15 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Recognition of Sulphated and Fucosylated Receptor Sialosides by A/Vietnam/1194/2004 (H5N1) Influenza Virus. Virus Res., 178, 2013
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3ZP0
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![BU of 3zp0 by Molmil](/molmil-images/mine/3zp0) | INFLUENZA VIRUS (VN1194) H5 HA with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZNM
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![BU of 3znm by Molmil](/molmil-images/mine/3znm) | H5 Haemagglutinin in Complex with Sialyl-Lewis X | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HAEMAGGLUTININ, ... | Authors: | Xiong, X, Tuzikov, A, Coombs, P, Martin, S.R, Walker, P.A, Gamblin, S.J, Bovin, N, Skehel, J.J. | Deposit date: | 2013-02-15 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Recognition of Sulphated and Fucosylated Receptor Sialosides by A/Vietnam/1194/2004 (H5N1) Influenza Virus. Virus Res., 178, 2013
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3ZPA
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![BU of 3zpa by Molmil](/molmil-images/mine/3zpa) | INFLUENZA VIRUS (VN1194) H5 I155F mutant HA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ | Authors: | Liu, J, Chen, Z, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-27 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZPB
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![BU of 3zpb by Molmil](/molmil-images/mine/3zpb) | INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-27 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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2LPR
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![BU of 2lpr by Molmil](/molmil-images/mine/2lpr) | |
2JKH
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![BU of 2jkh by Molmil](/molmil-images/mine/2jkh) | Factor Xa - cation inhibitor complex | Descriptor: | 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Salonen, L.M, Bucher, C, Banner, D.W, Benz, J, Haap, W, Mary, J.L, Schweizer, W.B, Seiler, P, Kuster, O, Diederich, F. | Deposit date: | 2008-08-28 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Cation-Pi Interactions at the Active Site of Factor Xa: Dramatic Enhancement Upon Stepwise N-Alkylation of Ammonium Ions. Angew.Chem.Int.Ed.Engl., 48, 2009
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3GIC
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![BU of 3gic by Molmil](/molmil-images/mine/3gic) | Structure of thrombin mutant delta(146-149e) in the free form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | Authors: | Bah, A, Carrell, C.J, Chen, Z, Gandhi, P.S, Di Cera, E. | Deposit date: | 2009-03-05 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Stabilization of the E* form turns thrombin into an anticoagulant. J.Biol.Chem., 284, 2009
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1A5H
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![BU of 1a5h by Molmil](/molmil-images/mine/1a5h) | |
1VZQ
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![BU of 1vzq by Molmil](/molmil-images/mine/1vzq) | Complex of thrombin with designed inhibitor 7165 | Descriptor: | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN VARIANT-2, ... | Authors: | Shaerer, K, Morgenthaler, M, Seiler, P, Diederich, F, Banner, D.W, Tschopp, T, Obst-Sander, U. | Deposit date: | 2004-05-24 | Release date: | 2005-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Enantiomerically Pure Thrombin Inhibitors for Exploring the Molecular-Recognition Features of the Oxyanion Hole Helv.Chim.Acta, 87, 2004
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4IBL
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![BU of 4ibl by Molmil](/molmil-images/mine/4ibl) | Rubidium Sites in Blood Coagulation Factor VIIa | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P. | Deposit date: | 2012-12-08 | Release date: | 2014-04-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium Acta Crystallogr.,Sect.D, D77, 2021
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4IGD
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![BU of 4igd by Molmil](/molmil-images/mine/4igd) | Crystal structure of the zymogen catalytic region of Human MASP-1 | Descriptor: | GLYCEROL, Mannan-binding lectin serine protease 1 | Authors: | Harmat, V, Megyeri, M, Vegh, A, Dobo, J. | Deposit date: | 2012-12-17 | Release date: | 2013-02-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Quantitative characterization of the activation steps of mannan-binding lectin (MBL)-associated serine proteases (MASPs) points to the central role of MASP-1 in the initiation of the complement lectin pathway J.Biol.Chem., 288, 2013
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